HCID66757040

4-(4-Benzyloxycarbonylamino-4-methyl-piperidine-1-carbonyl)benzoic Acid Methyl Ester

methyl 4-[4-methyl-4-(phenylmethoxycarbonylamino)piperidine-1-carbonyl]benzoate

C23H26N2O5410.5 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(C(=O)N2CCC(C)(NC(=O)OCc3ccccc3)CC2)cc1
InChIKey: FVHBSESTROKXJE-UHFFFAOYSA-N
分子式: C23H26N2O5
平均分子量: 410.5 g/mol
单同位素质量: 410.18417193

COMPUTED

结构计算性质

已同步

XLogP: 3.2
极性表面积: 84.9 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 7
重原子: 30
形式电荷: 0
复杂度: 601

ALIASES

名称与别名

共 4 条

SCHEMBL648306FVHBSESTROKXJE-UHFFFAOYSA-N4-(4-Benzyloxycarbonylamino-4-methyl-piperidine-1-carbonyl) benzoic acid methyl ester4-(4-Benzyloxycarbonylamino-4-methyl-piperidine-1-carbonyl)benzoic Acid Methyl Ester

REACTIONS

参与反应

9 条

uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08637546B2

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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08637546B2

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uspto-grants-2007_08 · 10.6084/m9.figshare.5104873.v1 · US07262207B2

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uspto-grants-2007_08 · 10.6084/m9.figshare.5104873.v1 · US07262207B2

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-2007_07 · 10.6084/m9.figshare.5104873.v1 · US07238724B2

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uspto-grants-2007_07 · 10.6084/m9.figshare.5104873.v1 · US07238724B2

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uspto-grants-2012_02 · 10.6084/m9.figshare.5104873.v1 · US08119664B2

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